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6-Methyl-3-(4-Cyanobutyl)benzoquinone
SpectraBase Compound ID G3Y9ohRP9gO
InChI InChI=1S/C12H13NO2/c1-9-7-12(15)10(8-11(9)14)5-3-2-4-6-13/h7-8H,2-5H2,1H3
InChIKey WRUVAIPFJWCWEI-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2dmvtz9iBR
Name 6-Methyl-3-(4-Cyanobutyl)benzoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-9-7-12(15)10(8-11(9)14)5-3-2-4-6-13/h7-8H,2-5H2,1H3
InChIKey WRUVAIPFJWCWEI-UHFFFAOYSA-N
Molecular Weight 203.241 g/mol
SMILES C1=C(C(=O)C=C(C1=O)CCCCC#N)C
SPLASH splash10-0ik9-0930000000-ad24845c604ad8612e2e
Source of Spectrum F-49-5545-10
Synonyms 5-(4-Methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)pentanenitrile
Wiley ID 1200921